![4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid structure](/static/products/4953/495375-55-8.webp)
4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
TL;DR: 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid (CAS 495375-55-8) is a chemical compound with molecular formula C12H15NO5S and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: 4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid, 4-{[3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxobutanoic acid, 4-[(3-carbethoxy-5-methyl-2-thienyl)amino]-4-keto-butyric acid, 3-{N-[3-(ethoxycarbonyl)-5-methyl-2-thienyl]carbamoyl}propanoic acid, 4-[(3-ethoxycarbonyl-5-methyl-2-thiophenyl)amino]-4-oxobutanoic acid
| Molecular Formula | C12H15NO5S |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 2.03652 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.0671 |
| Heavy Atoms | 19 |
| Complexity | 494.30923 |
Chemical Identifiers
| CAS Number | 495375-55-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C)NC(=O)CCC(=O)O |
Product Overview
4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid (CAS 495375-55-8), with molecular formula C12H15NO5S and molecular weight 285.07 g/mol. IUPAC: 4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
Property Insights of 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
The XLogP value of 2.03652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid?
The CAS number of 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid is 495375-55-8.
What is the molecular formula of 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid?
The molecular formula of 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid is C12H15NO5S.
What is the molecular weight of 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid?
The molecular weight of 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid is 285.07 g/mol.
Where can I buy 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid?
You can request a quote for 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.